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4-O-(beta-D-glucosyl)-trans-sinapate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1373348

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₁₇H₂₁O₁₀

charge

-1

mass

385.345

reference

chebi:141763

InChIKey

KKLWTTVTWMTNBP-KYXYLJOWSA-M

InChI

InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/p-1/b4-3+/t11-,13-,14+,15-,17+/m1/s1

SMILES

[CH3:1][O:24][c:9]1[cH:5][c:8](/[CH:3]=[CH:4]/[C:12](=[O:19])[OH:20])[cH:6][c:10]([O:25][CH3:2])[c:16]1[O:27][C@H:17]1[C@H:15]([OH:23])[C@@H:14]([OH:22])[C@H:13]([OH:21])[C@@H:11]([CH2:7][OH:18])[O:26]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:141763 chebi:141763	4-O-(beta-D-glucosyl)-trans-sinapate (2E)-3-[4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylate 4-O-(beta-D-glucopyranosyl)-(2E)-sinapate 4-O-(beta-D-glucosyl)-(2E)-sinapate 4-O-beta-D-glucosyl-trans-sinapate O(4)-(beta-D-glucosyl)-(2E)-sinapate
seed.compound:cpd01867 seedM:cpd01867	1-Sinapoyl-D-glucose 1-sinapoyl-D-glucose 4-O-beta-D-Glucosyl-sinapate
kegg.compound:C02919 keggC:C02919	4-O-beta-D-Glucosyl-sinapate
CHEBI:145341 chebi:145341	4-O-beta-D-glucosyl-trans-sinapic acid (2E)-3-[4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]acrylic acid 4-O-(beta-D-glucopyranosyl)-(2E)-sinapic acid 4-O-(beta-D-glucosyl)-(2E)-sinapic acid O(4)-(beta-D-glucosyl)-(2E)-sinapic acid sinapoyl-4-O-beta-D-glucoside
keggC:M_C02919 seedM:M_cpd01867	secondary/obsolete/fantasy identifier